5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C62H84N20O6Si2 — CID 160626548

IUPAC5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCOC1(c2nn[nH]n2)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.COCCOC1(c2nn[nH]n2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1
InChIInChI=1S/C37H56N10O4Si2.C25H28N10O2/c1-48-17-18-51-37(36-41-43-44-42-36)15-13-29(14-16-37)33-23-34(45(27-49-19-21-52(2,3)4)28-50-20-22-53(5,6)7)47-35(40-33)32(25-39-47)30-24-38-46(26-30)31-11-9-8-10-12-31;1-36-11-12-37-25(24-30-32-33-31-24)9-7-17(8-10-25)21-13-22(26)35-23(29-21)20(15-28-35)18-14-27-34(16-18)19-5-3-2-4-6-19/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,41,42,43,44);2-6,13-17H,7-12,26H2,1H3,(H,30,31,32,33)
InChIKeyRHJKFMFBZKDAPK-UHFFFAOYSA-N
MW1261.66 g/mol
LogP9.64
Rot. Bonds27

About 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160626548) has the molecular formula C62H84N20O6Si2 and a molecular weight of 1261.66 g/mol. Its IUPAC name is 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID160626548
Molecular FormulaC62H84N20O6Si2
Molecular Weight1261.66 g/mol
Exact Mass1260.64
IUPAC Name5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCOC1(c2nn[nH]n2)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.COCCOC1(c2nn[nH]n2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1
InChIInChI=1S/C37H56N10O4Si2.C25H28N10O2/c1-48-17-18-51-37(36-41-43-44-42-36)15-13-29(14-16-37)33-23-34(45(27-49-19-21-52(2,3)4)28-50-20-22-53(5,6)7)47-35(40-33)32(25-39-47)30-24-38-46(26-30)31-11-9-8-10-12-31;1-36-11-12-37-25(24-30-32-33-31-24)9-7-17(8-10-25)21-13-22(26)35-23(29-21)20(15-28-35)18-14-27-34(16-18)19-5-3-2-4-6-19/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,41,42,43,44);2-6,13-17H,7-12,26H2,1H3,(H,30,31,32,33)
InChIKeyRHJKFMFBZKDAPK-UHFFFAOYSA-N
XLogP9.64
TPSA289.58 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.66
LogP ≤ 59.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 160626548) is 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCOC1(c2nn[nH]n2)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.COCCOC1(c2nn[nH]n2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.
What is the InChIKey of 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RHJKFMFBZKDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N10O4Si2.C25H28N10O2/c1-48-17-18-51-37(36-41-43-44-42-36)15-13-29(14-16-37)33-23-34(45(27-49-19-21-52(2,3)4)28-50-20-22-53(5,6)7)47-35(40-33)32(25-39-47)30-24-38-46(26-30)31-11-9-8-10-12-31;1-36-11-12-37-25(24-30-32-33-31-24)9-7-17(8-10-25)21-13-22(26)35-23(29-21)20(15-28-35)18-14-27-34(16-18)19-5-3-2-4-6-19/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,41,42,43,44);2-6,13-17H,7-12,26H2,1H3,(H,30,31,32,33).
What are the key properties of 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1261.66 g/mol, XLogP of 9.64, 27 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160626548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).